[Pw_forum] nancollin

ali kazempoor kazempoor2000 at yahoo.com
Mon Sep 8 20:08:52 CEST 2008


Dear all

For calculating MAE energy I run relax calculation according to below with Nirelpbe.rrkg3.UPF

pseudopotential but one error appears like

 task #         6

     from stres_gradcorr : error #         1

     noncollinear stress + GGA not implemented

which parameter mast be changed?

thanks 

Ali Kazempour,Isfahan univ. Of Tech, Iran




      
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